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PC190723

CAT: 0127-BUP01255-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP01255-01Size:1 mg
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CAS Number
951120-33-5
Synonyms
PC 190723, PC-190723
Purity
=95%
Smiles
O=C(N)C=1C(F)=CC=C(OCC2=NC=3C=C(Cl)C=NC3S2)C1F

Chemical Information

PC-190723

Antibacterial; an inhibitor of FtsZ with potent and selective anti-staphylococcal activity including methicillin- and multi-drug-resistant Staphylococcus aureus; structure in first source

CAS Number951120-33-5
PubChem CID25016417
IUPAC Name3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
Molecular FormulaC14H8ClF2N3O2S
Molecular Weight355.7
XLogP2.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity450
SMILES
C1=CC(=C(C(=C1OCC2=NC3=C(S2)N=CC(=C3)Cl)F)C(=O)N)F
InChI
InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)
InChIKey
INYJNSBDHOVLAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PC-190723
CAS: 951120-33-5
CID: 25016417
Formula: C14H8ClF2N3O2S
MW: 355.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight355.7
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass354.9993817
Monoisotopic Mass354.9993817
Topological Polar Surface Area106 Ų
Heavy Atom Count23
Formal Charge0
Complexity450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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